SCHEMBL9970256

SCHEMBL9970256

CC(C)(C)c1ccc(NC(=O)NCCCNC[C@H]2OC(n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 19/20 0.80
DNMT1 P26358 1/20 0.75

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9936965 1.00 DOT1L (0.80) DOT1LDNMT1
SCHEMBL9936967 1.00 DOT1L (0.80) DOT1LDNMT1
SCHEMBL15598657 0.95 DOT1L (0.77) DOT1LDNMT1
SCHEMBL15395500 0.89 DOT1L (0.65) DOT1LDNMT1
SCHEMBL9937546 0.89 DOT1L (1.00) DOT1LDNMT1
SCHEMBL9937550 0.89 DOT1L (1.00) DOT1LDNMT1
SCHEMBL9970702 0.88 DOT1L (0.96) DOT1LDNMT1
SCHEMBL9970111 0.88 DOT1L (0.96) DOT1LDNMT1
SCHEMBL15396803 0.88 DOT1L (0.78) DOT1LDNMT1
SCHEMBL15395752 0.88 DOT1L (0.64) DOT1LDNMT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012082436-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-06-21 WO disclosed